Found 1 result

Search term: 78438508 (Found by CSID)
ChemSpider 2D Image | (3S,8S,9R,11E)-8,9,16-Trihydroxy-13,14-dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C20H26O8

(3S,8S,9R,11E)-8,9,16-Trihydroxy-13,14-dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC20H26O8
  • Average mass394.416 Da
  • Monoisotopic mass394.162781 Da
  • ChemSpider ID78438508

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,8S,9R,11E)-8,9,16-Trihydroxy-13,14-dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(3S,8S,9R,11E)-8,9,16-Trihydroxy-13,14-dimethoxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(3S,8S,9R,11E)-8,9,16-Trihydroxy-13,14-diméthoxy-3-méthyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-8,9,16-trihydroxy-13,14-dimethoxy-3-methyl-, (3S,8S,9R,11E)- [ACD/Index Name]
Hamigeromycin C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 241.5±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.86
ACD/KOC (pH 5.5): 316.28
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 16.42
ACD/KOC (pH 7.4): 237.51
Polar Surface Area: 123 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

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